David,
> You had said in an earlier email that the second simulation "had no water
box". I was asking for the evidence that led you to that conclusion.
Well I don't see any water box when I load the output on VMD. It is only an
abnormal structure with a bunch of carbon-like atoms.
> Run a short "second" simulation with ntpr=1. Then you can try to find
out whether the problems arise at the first step or later.
I tried that; it gives the same output. It seems the problem starts from
the beginning.
Thanks,
Sadegh
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Received on Wed Mar 29 2017 - 12:30:02 PDT
